2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide

C10H14ClNO4S — CID 106687009

IUPAC2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
SMILESCC(C)(CNC(=O)c1ccoc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H14ClNO4S/c1-10(2,17(3,14)15)6-12-9(13)7-4-5-16-8(7)11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyUJEQWQSNBNYPGN-UHFFFAOYSA-N
MW279.75 g/mol
LogP1.49
Rot. Bonds4

About 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide

2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide (PubChem CID 106687009) has the molecular formula C10H14ClNO4S and a molecular weight of 279.75 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
PubChem CID106687009
Molecular FormulaC10H14ClNO4S
Molecular Weight279.75 g/mol
Exact Mass279.03
IUPAC Name2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide
SMILESCC(C)(CNC(=O)c1ccoc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H14ClNO4S/c1-10(2,17(3,14)15)6-12-9(13)7-4-5-16-8(7)11/h4-5H,6H2,1-3H3,(H,12,13)
InChIKeyUJEQWQSNBNYPGN-UHFFFAOYSA-N
XLogP1.49
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chlorofuran-3-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 106683586
2-chloro-N-(2-methoxy-2-methylpropyl)furan-3-carboxamide
CID 106687227
2-chloro-N-(3,3-dimethylbutyl)furan-3-carboxamide
CID 106687305
2-chloro-N-propylfuran-3-carboxamide
CID 106685121
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
4-amino-2-chloro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79552037
5-chloro-2-hydrazinyl-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79555934
N-(2-aminopropyl)-2-chlorofuran-3-carboxamide
CID 106688502
N-(2-bromopropyl)-2-chlorofuran-3-carboxamide
CID 106690037
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
2-fluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550785
2,3-difluoro-N-(2-methyl-2-methylsulfonylpropyl)benzamide
CID 79550157

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide (CID 106687009) is 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide is CC(C)(CNC(=O)c1ccoc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide?
The InChIKey is UJEQWQSNBNYPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO4S/c1-10(2,17(3,14)15)6-12-9(13)7-4-5-16-8(7)11/h4-5H,6H2,1-3H3,(H,12,13).
What are the key properties of 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide?
2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide has a molecular weight of 279.75 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-2-methylsulfonylpropyl)furan-3-carboxamide is sourced from PubChem (CID 106687009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).